4-bromo-2-chloro-6-fluoro-N-methylaniline

C7H6BrClFN — CID 21161243

IUPAC4-bromo-2-chloro-6-fluoro-N-methylaniline
SMILESCNc1c(F)cc(Br)cc1Cl
InChIInChI=1S/C7H6BrClFN/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3,11H,1H3
InChIKeyBFRRHCYSKFVMCO-UHFFFAOYSA-N
MW238.49 g/mol
LogP3.28
Rot. Bonds1

About 4-bromo-2-chloro-6-fluoro-N-methylaniline

4-bromo-2-chloro-6-fluoro-N-methylaniline (PubChem CID 21161243) has the molecular formula C7H6BrClFN and a molecular weight of 238.49 g/mol. Its IUPAC name is 4-bromo-2-chloro-6-fluoro-N-methylaniline.

Molecular Properties

Compound Name4-bromo-2-chloro-6-fluoro-N-methylaniline
PubChem CID21161243
Molecular FormulaC7H6BrClFN
Molecular Weight238.49 g/mol
Exact Mass236.94
IUPAC Name4-bromo-2-chloro-6-fluoro-N-methylaniline
SMILESCNc1c(F)cc(Br)cc1Cl
InChIInChI=1S/C7H6BrClFN/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3,11H,1H3
InChIKeyBFRRHCYSKFVMCO-UHFFFAOYSA-N
XLogP3.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.49
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-6-fluoro-N-methylaniline?
The IUPAC name of 4-bromo-2-chloro-6-fluoro-N-methylaniline (CID 21161243) is 4-bromo-2-chloro-6-fluoro-N-methylaniline.
What is the SMILES notation for 4-bromo-2-chloro-6-fluoro-N-methylaniline?
The canonical SMILES for 4-bromo-2-chloro-6-fluoro-N-methylaniline is CNc1c(F)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-6-fluoro-N-methylaniline?
The InChIKey is BFRRHCYSKFVMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClFN/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3,11H,1H3.
What are the key properties of 4-bromo-2-chloro-6-fluoro-N-methylaniline?
4-bromo-2-chloro-6-fluoro-N-methylaniline has a molecular weight of 238.49 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-6-fluoro-N-methylaniline is sourced from PubChem (CID 21161243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).